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13049-92-8 | Propanoic acid, 3,3,3-trifluoro-2-(trifluoromethyl)-, anhydride with 3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid
CAS No: 13049-92-8 Catalog No: AG000UHO MDL No:
Product Description
Catalog Number:
AG000UHO
Chemical Name:
Propanoic acid, 3,3,3-trifluoro-2-(trifluoromethyl)-, anhydride with 3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid
CAS Number:
13049-92-8
Molecular Formula:
C8H2F12O3
Molecular Weight:
374.0805
IUPAC Name:
[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl] 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
InChI:
InChI=1S/C8H2F12O3/c9-5(10,11)1(6(12,13)14)3(21)23-4(22)2(7(15,16)17)8(18,19)20/h1-2H
InChI Key:
FCMLFBCCCKHRED-UHFFFAOYSA-N
SMILES:
O=C(C(C(F)(F)F)C(F)(F)F)OC(=O)C(C(F)(F)F)C(F)(F)F
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.981g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.082g/mol
Monoisotopic Mass:
373.981g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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